N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine

C36H41N5O2S — CID 134130069

IUPACN-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21
InChIInChI=1S/C36H41N5O2S/c42-44(43,28-12-3-1-4-13-28)41-23-20-31-34(18-11-19-35(31)41)40-26-24-39(25-27-40)22-10-2-9-21-37-36-29-14-5-7-16-32(29)38-33-17-8-6-15-30(33)36/h1,3-5,7,11-14,16,18-20,23H,2,6,8-10,15,17,21-22,24-27H2,(H,37,38)
InChIKeyQVMOLXHRHHMTTI-UHFFFAOYSA-N
MW607.82 g/mol
LogP6.71
Rot. Bonds10

About N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 134130069) has the molecular formula C36H41N5O2S and a molecular weight of 607.82 g/mol. Its IUPAC name is N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID134130069
Molecular FormulaC36H41N5O2S
Molecular Weight607.82 g/mol
Exact Mass607.30
IUPAC NameN-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21
InChIInChI=1S/C36H41N5O2S/c42-44(43,28-12-3-1-4-13-28)41-23-20-31-34(18-11-19-35(31)41)40-26-24-39(25-27-40)22-10-2-9-21-37-36-29-14-5-7-16-32(29)38-33-17-8-6-15-30(33)36/h1,3-5,7,11-14,16,18-20,23H,2,6,8-10,15,17,21-22,24-27H2,(H,37,38)
InChIKeyQVMOLXHRHHMTTI-UHFFFAOYSA-N
XLogP6.71
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.82
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 134130069) is N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine is O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21.
What is the InChIKey of N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is QVMOLXHRHHMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O2S/c42-44(43,28-12-3-1-4-13-28)41-23-20-31-34(18-11-19-35(31)41)40-26-24-39(25-27-40)22-10-2-9-21-37-36-29-14-5-7-16-32(29)38-33-17-8-6-15-30(33)36/h1,3-5,7,11-14,16,18-20,23H,2,6,8-10,15,17,21-22,24-27H2,(H,37,38).
What are the key properties of N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 607.82 g/mol, XLogP of 6.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 134130069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).